tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate

C11H19F3N2O2 — CID 86327283

IUPACtert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-8(15)7(6-16)11(12,13)14/h7-8H,4-6,15H2,1-3H3/t7-,8-/m1/s1
InChIKeyLGIQYBKJHLHGST-HTQZYQBOSA-N
MW268.28 g/mol
LogP2.13
Rot. Bonds

About tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 86327283) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID86327283
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nametert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-8(15)7(6-16)11(12,13)14/h7-8H,4-6,15H2,1-3H3/t7-,8-/m1/s1
InChIKeyLGIQYBKJHLHGST-HTQZYQBOSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate (CID 86327283) is tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H](C(F)(F)F)C1.
What is the InChIKey of tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is LGIQYBKJHLHGST-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-8(15)7(6-16)11(12,13)14/h7-8H,4-6,15H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 86327283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).